(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid

C16H18N2O2 — CID 68782379

IUPAC(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
SMILESNCc1ccc(CN[C@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-10-12-6-8-13(9-7-12)11-18-15(16(19)20)14-4-2-1-3-5-14/h1-9,15,18H,10-11,17H2,(H,19,20)/t15-/m0/s1
InChIKeySOLUSPURPZGVOE-HNNXBMFYSA-N
MW270.33 g/mol
LogP2.06
Rot. Bonds6

About (2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid

(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid (PubChem CID 68782379) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
PubChem CID68782379
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
SMILESNCc1ccc(CN[C@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-10-12-6-8-13(9-7-12)11-18-15(16(19)20)14-4-2-1-3-5-14/h1-9,15,18H,10-11,17H2,(H,19,20)/t15-/m0/s1
InChIKeySOLUSPURPZGVOE-HNNXBMFYSA-N
XLogP2.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
CID 122038518
4-[(benzylamino)-carboxymethyl]benzoic acid
CID 10085320
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
(2S)-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
CID 87239867
N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride
CID 22051255
(2S)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511819
(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120510362
2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid
CID 79972990
2-(furan-3-ylmethylamino)-2-phenylacetic acid
CID 63204557
(2S)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid
CID 120511809
(2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid
CID 120510352

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid (CID 68782379) is (2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid is NCc1ccc(CN[C@H](C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid?
The InChIKey is SOLUSPURPZGVOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-10-12-6-8-13(9-7-12)11-18-15(16(19)20)14-4-2-1-3-5-14/h1-9,15,18H,10-11,17H2,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid?
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid has a molecular weight of 270.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid is sourced from PubChem (CID 68782379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).